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CAS 35710-05-5 N-BENZYLISATOIC ANHYDRIDE molecular structure lightbox
CAS RN: 35710-05-5

N-BENZYLISATOIC ANHYDRIDE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260107 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS35710-05-5
  • Purity/Analytical Methods: >99.0%
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35710-05-5 / 1-benzyl-3,1-benzoxazine-2,4-dione

Standard CAS: 35710-05-5 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
35710-05-5
Multi CAS
Yes
Molecular Formula
C15H11NO3
Molecular Weight
253.250000
Exact Mass
253.073893
InChI
InChI=1S/C15H11NO3/c17-14-12-8-4-5-9-13(12)16(15(18)19-14)10-11-6-2-1-3-7-11/h1-9H,10H2
InChIKey
XZNZVRHSHRYPDL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
16
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
72.29
TPSA
52.21

LogP / Solubility

WLOGP
2
MLOGP
1.77
XLogP3
2.7
Consensus LogP
2.16
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.08
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.21
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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